CID 84663233

2094153-95-2

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CCNC2=C(C1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)9-4-5-10-8(7-9)3-1-2-6-12-10/h4-5,7,12H,1-3,6H2,(H,13,14)
InChIKey
TZGKFHVAOBIIFK-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 137.4
[M+Na]+ 214.08386 142.0
[M-H]- 190.08736 138.8
[M+NH4]+ 209.12846 154.0
[M+K]+ 230.05780 142.9
[M+H-H2O]+ 174.09190 132.1
[M+HCOO]- 236.09284 153.3
[M+CH3COO]- 250.10849 180.1
[M+Na-2H]- 212.06931 142.9
[M]+ 191.09409 130.0
[M]- 191.09519 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.